1-(1,2,5,7-tetrahydropyrrolo[3,4-b]pyridin-6-yl)ethanone

C9H12N2O — CID 118929024

IUPAC1-(1,2,5,7-tetrahydropyrrolo[3,4-b]pyridin-6-yl)ethanone
SMILESCC(=O)N1CC2=C(C1)NCC=C2
InChIInChI=1S/C9H12N2O/c1-7(12)11-5-8-3-2-4-10-9(8)6-11/h2-3,10H,4-6H2,1H3
InChIKeyHGEMLXAJHHBVKK-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.26
Rot. Bonds

About 1-(1,2,5,7-tetrahydropyrrolo[3,4-b]pyridin-6-yl)ethanone

1-(1,2,5,7-tetrahydropyrrolo[3,4-b]pyridin-6-yl)ethanone (PubChem CID 118929024) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-(1,2,5,7-tetrahydropyrrolo[3,4-b]pyridin-6-yl)ethanone.

Molecular Properties

Compound Name1-(1,2,5,7-tetrahydropyrrolo[3,4-b]pyridin-6-yl)ethanone
PubChem CID118929024
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1-(1,2,5,7-tetrahydropyrrolo[3,4-b]pyridin-6-yl)ethanone
SMILESCC(=O)N1CC2=C(C1)NCC=C2
InChIInChI=1S/C9H12N2O/c1-7(12)11-5-8-3-2-4-10-9(8)6-11/h2-3,10H,4-6H2,1H3
InChIKeyHGEMLXAJHHBVKK-UHFFFAOYSA-N
XLogP0.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1,2,5,7-tetrahydropyrrolo[3,4-b]pyridin-6-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,5,7-tetrahydropyrrolo[3,4-b]pyridin-6-yl)ethanone?
The IUPAC name of 1-(1,2,5,7-tetrahydropyrrolo[3,4-b]pyridin-6-yl)ethanone (CID 118929024) is 1-(1,2,5,7-tetrahydropyrrolo[3,4-b]pyridin-6-yl)ethanone.
What is the SMILES notation for 1-(1,2,5,7-tetrahydropyrrolo[3,4-b]pyridin-6-yl)ethanone?
The canonical SMILES for 1-(1,2,5,7-tetrahydropyrrolo[3,4-b]pyridin-6-yl)ethanone is CC(=O)N1CC2=C(C1)NCC=C2.
What is the InChIKey of 1-(1,2,5,7-tetrahydropyrrolo[3,4-b]pyridin-6-yl)ethanone?
The InChIKey is HGEMLXAJHHBVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7(12)11-5-8-3-2-4-10-9(8)6-11/h2-3,10H,4-6H2,1H3.
What are the key properties of 1-(1,2,5,7-tetrahydropyrrolo[3,4-b]pyridin-6-yl)ethanone?
1-(1,2,5,7-tetrahydropyrrolo[3,4-b]pyridin-6-yl)ethanone has a molecular weight of 164.21 g/mol, XLogP of 0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,5,7-tetrahydropyrrolo[3,4-b]pyridin-6-yl)ethanone is sourced from PubChem (CID 118929024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).